SCHEMBL25971972

SCHEMBL25971972

CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)CCC(C)(C)c3cc(CCC(=O)OC(OC(=O)CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)(OC(=O)CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)OC(=O)CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc(C(C)(C)C)c3O)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.55
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
AGTR1 P30556 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
ACHE P22303 1/20 0.39
VCAM1 P19320 1/20 0.36
GSK3B P49841 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23813377 0.89 GAA (0.46) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL9517656 0.86 GAA (0.59) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL18517345 0.85 GAA (0.52) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL30587082 0.85 GAA (0.67) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL39122 0.83 GAA (0.77) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL21902222 0.82 GAA (0.43) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL30732960 0.82 GAA (0.74) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL19670063 0.81 GAA (0.55) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL24473593 0.81 GAA (0.55) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL20390742 0.79 GAA (0.70) GAAKMT2AALDH1A1LMNAAGTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257654-A1 LIQUID CRYSTAL COMPOSITION CONTAINING DIBENZO DERIVATIVES AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2023-08-17 US disclosed